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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2023	/Adsorptions/In₄O₅-Pd/CO₂-In₄O₅-Pd-configurations CO₂-In₄O₅-Pd-conf4	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-562.33153099; eV
	31-Jul-2023	/M_P_SACs/M_sq_C4P1_C5P1_s/Ni_sq_C4P1_C5P1_s rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.27535829; eV
	31-Jul-2023	/M_P_SACs/M_sq_C4P1_C5P1_s/Ir_sq_C4P1_C5P1_s rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-622.73403978; eV
	5-Feb-2024	/Profiles/ZrO₂ ZrO₂-i08a	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-485.40978389; eV
	26-Aug-2024	geom36_nox2_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1258.4642141; Eh
	26-Aug-2024	geom125_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9605976; Eh
	26-Aug-2024	geom1_nox_w4_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-629.225858773; Eh
	26-Aug-2024	geom71_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5253064; Eh
	26-Aug-2024	geom98_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5278824; Eh
	26-Aug-2024	geom98_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9601772; Eh

Results 47421-47430 of 104079 (Search time: 0.028 seconds).